[4-[2-(cyclopropylamino)-5-pyridin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C22H25N7O — CID 46962321

IUPAC[4-[2-(cyclopropylamino)-5-pyridin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC(c2nc(NC3CC3)ncc2-c2ccccn2)CC1
InChIInChI=1S/C22H25N7O/c1-28-19(7-11-25-28)21(30)29-12-8-15(9-13-29)20-17(18-4-2-3-10-23-18)14-24-22(27-20)26-16-5-6-16/h2-4,7,10-11,14-16H,5-6,8-9,12-13H2,1H3,(H,24,26,27)
InChIKeyBMFRKKDSYPRIIY-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.87
Rot. Bonds5

About [4-[2-(cyclopropylamino)-5-pyridin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[4-[2-(cyclopropylamino)-5-pyridin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 46962321) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is [4-[2-(cyclopropylamino)-5-pyridin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-(cyclopropylamino)-5-pyridin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID46962321
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name[4-[2-(cyclopropylamino)-5-pyridin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC(c2nc(NC3CC3)ncc2-c2ccccn2)CC1
InChIInChI=1S/C22H25N7O/c1-28-19(7-11-25-28)21(30)29-12-8-15(9-13-29)20-17(18-4-2-3-10-23-18)14-24-22(27-20)26-16-5-6-16/h2-4,7,10-11,14-16H,5-6,8-9,12-13H2,1H3,(H,24,26,27)
InChIKeyBMFRKKDSYPRIIY-UHFFFAOYSA-N
XLogP2.87
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[2-(cyclopropylamino)-5-pyridin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-(dimethylamino)-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95836618
[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95845680
(2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155975284
[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 46962305
(2-methylpyrazol-3-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887582
N,4-dicyclopropyl-5-pyrazin-2-ylpyrimidin-2-amine
CID 95857494
1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
N-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 138380460
2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine
CID 123184269
[4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 91918286
(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1219801
pyridin-3-yl-[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965218

Frequently Asked Questions

What is the IUPAC name of [4-[2-(cyclopropylamino)-5-pyridin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-[2-(cyclopropylamino)-5-pyridin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 46962321) is [4-[2-(cyclopropylamino)-5-pyridin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-[2-(cyclopropylamino)-5-pyridin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-[2-(cyclopropylamino)-5-pyridin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCC(c2nc(NC3CC3)ncc2-c2ccccn2)CC1.
What is the InChIKey of [4-[2-(cyclopropylamino)-5-pyridin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is BMFRKKDSYPRIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-28-19(7-11-25-28)21(30)29-12-8-15(9-13-29)20-17(18-4-2-3-10-23-18)14-24-22(27-20)26-16-5-6-16/h2-4,7,10-11,14-16H,5-6,8-9,12-13H2,1H3,(H,24,26,27).
What are the key properties of [4-[2-(cyclopropylamino)-5-pyridin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[4-[2-(cyclopropylamino)-5-pyridin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 403.49 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(cyclopropylamino)-5-pyridin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 46962321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).